(phenylmethyl) 3-[[4-[1-azanyl-5-(phenylcarbonyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[4-[1-azanyl-5-(phenylcarbonyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylate Openeye Name: benzyl 3-[[4-(1-amino-5-benzoyl-benzimidazol-1-ium-1-yl)pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylate CAS Name: 3-[[4-(1-amino-5-benzoyl-1-benzimidazol-1-iumyl)-2-pyrimidinyl]-ethylamino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-(1-amino-5-benzoylbenzimidazol-1-ium-1-yl)pyrimidin-2-yl]-ethylamino]piperidine-1-carboxylate Traditional Name: 3-[[4-(1-amino-5-benzoyl-benzimidazol-1-ium-1-yl)pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylic acid benzyl ester Formula: C33H34N7O3+ MolecularWeight: 576.66816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)[N+]4(C=NC5=C4C=CC(=C5)C(=O)C6=CC=CC=C6)N

Isomeric SMILES

CCN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)[N+]4(C=NC5=C4C=CC(=C5)C(=O)C6=CC=CC=C6)N

InChI

InChI=1S/C33H34N7O3/c1-2-39(27-14-9-19-38(21-27)33(42)43-22-24-10-5-3-6-11-24)32-35-18-17-30(37-32)40(34)23-36-28-20-26(15-16-29(28)40)31(41)25-12-7-4-8-13-25/h3-8,10-13,15-18,20,23,27H,2,9,14,19,21-22,34H2,1H3/q+1