N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-2-phenoxy-acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-19-7-6-8-20(15-19)16-25-11-13-26(14-12-25)22(27)17-24(2)23(28)18-29-21-9-4-3-5-10-21/h3-10,15H,11-14,16-18H2,1-2H3/p+1