(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-2-benzimidazolyl)methyl]-N-[4-(2-methyl-1-imidazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)NC4=CC=C(C=C4)N5C=CN=C5C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)N5C=CN=C5C

InChI

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