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

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c1-5-25(6-2)21(27)19-15-26(23-22-19)18-8-7-11-24(14-18)13-17-9-10-20(28-4)16(3)12-17/h9-10,12,15,18H,5-8,11,13-14H2,1-4H3/p+1/t18-/m0/s1