1-[2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-[(2-ethoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(2-ethoxybenzyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H33N6O2+ MolecularWeight: 401.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

InChI

InChI=1S/C21H32N6O2/c1-4-29-20-8-6-5-7-18(20)15-26-11-9-25(10-12-26)13-14-27-16-19(23-24-27)21(28)22-17(2)3/h5-8,16-17H,4,9-15H2,1-3H3,(H,22,28)/p+1