N-(3-methylphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzamide

Systemtic Name: N-(3-methylphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(m-tolyl)benzamide CAS Name: N-(3-methylphenyl)-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(m-tolyl)benzamide Formula: C26H31N3O+2 MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-21-6-5-9-25(18-21)27-26(30)24-12-10-23(11-13-24)20-29-16-14-28(15-17-29)19-22-7-3-2-4-8-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)/p+2