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

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-o-anisylpiperidin-1-ium-3-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)C2CCC[NH+](C2)CC3=CC=CC=C3OC

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C20H29N5O2/c1-4-24(5-2)20(26)18-15-25(22-21-18)17-10-8-12-23(14-17)13-16-9-6-7-11-19(16)27-3/h6-7,9,11,15,17H,4-5,8,10,12-14H2,1-3H3/p+1/t17-/m0/s1