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

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/c1-2-31-16-18(14-26-31)15-30-13-5-6-20(17-30)25(32)27-21-11-9-19(10-12-21)24-28-22-7-3-4-8-23(22)29-24/h3-4,7-12,14,16,20H,2,5-6,13,15,17H2,1H3,(H,27,32)(H,28,29)/p+1/t20-/m0/s1