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

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-methyl-benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-21-9-8-14-24(19-21)27(32)28-20-25(31)29-15-17-30(18-16-29)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,26H,15-18,20H2,1H3,(H,28,32)/p+1