3,5-dimethyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]propyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[3-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]propyl]benzamide Openeye Name: 3,5-dimethyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide CAS Name: 3,5-dimethyl-N-[3-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-triazolyl]propyl]benzamide IUPAC Name: 3,5-dimethyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide Traditional Name: 3,5-dimethyl-N-[3-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]propyl]benzamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCCN2C=C(N=N2)C(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H28N6O2/c1-15-11-16(2)13-17(12-15)19(27)21-5-4-6-26-14-18(22-23-26)20(28)25-9-7-24(3)8-10-25/h11-14H,4-10H2,1-3H3,(H,21,27)/p+1