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

Systemtic Name: N,N-diethyl-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-(1-o-anisylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OC

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H29N5O2/c1-4-24(5-2)20(26)18-15-25(22-21-18)17-10-12-23(13-11-17)14-16-8-6-7-9-19(16)27-3/h6-9,15,17H,4-5,10-14H2,1-3H3/p+1