1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]-3-piperidin-1-iumyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(4-acetamidobenzyl)piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H30N6O2/c1-4-26(5-2)21(29)20-15-27(24-23-20)19-7-6-12-25(14-19)13-17-8-10-18(11-9-17)22-16(3)28/h8-11,15,19H,4-7,12-14H2,1-3H3,(H,22,28)/p+1/t19-/m0/s1