1-[2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C)C

InChI

InChI=1S/C21H30N6O2/c1-15(2)22-20(28)19-14-27(24-23-19)10-7-25-5-8-26(9-6-25)21(29)18-12-16(3)11-17(4)13-18/h11-15H,5-10H2,1-4H3,(H,22,28)/p+1