2-methyl-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2-methyl-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 2-methyl-N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 2-methyl-N-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 2-methyl-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]-2-methyl-benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O2/c1-18-7-3-5-9-20(18)17-25-13-15-26(16-14-25)22(27)11-12-24-23(28)21-10-6-4-8-19(21)2/h3-10H,11-17H2,1-2H3,(H,24,28)/p+1