1-[2-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[2-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[2-[4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-1-yl]ethyl]triazole-4-carboxamide Formula: C22H33N6O+ MolecularWeight: 397.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CCN2CC[NH+](CC2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CCN2CC[NH+](CC2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C22H32N6O/c1-18(2)23-22(29)21-17-28(25-24-21)14-13-26-9-11-27(12-10-26)16-19(3)15-20-7-5-4-6-8-20/h4-8,15,17-18H,9-14,16H2,1-3H3,(H,23,29)/p+1/b19-15+