(3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H30N6O/c1-3-32-17-21(18(2)30-32)16-31-14-6-7-20(15-31)26(33)27-22-12-10-19(11-13-22)25-28-23-8-4-5-9-24(23)29-25/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,27,33)(H,28,29)/p+1/t20-/m0/s1