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

Systemtic Name: 1-[2-[4-[(4-phenylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[2-[4-[(4-phenylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-[2-[4-[(4-phenylphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(4-phenylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[2-[4-(4-phenylbenzyl)piperazin-1-ium-1-yl]ethyl]triazole-4-carboxamide Formula: C25H33N6O+ MolecularWeight: 433.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N6O/c1-20(2)26-25(32)24-19-31(28-27-24)17-16-29-12-14-30(15-13-29)18-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-11,19-20H,12-18H2,1-2H3,(H,26,32)/p+1