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

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H29N5O/c1-4-24(5-2)20(26)19-15-25(22-21-19)18-11-8-12-23(14-18)13-17-10-7-6-9-16(17)3/h6-7,9-10,15,18H,4-5,8,11-14H2,1-3H3/p+1/t18-/m0/s1