N-[(4-methylphenyl)methyl]-2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[1-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(4-methylbenzyl)-2-[[2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C28H37N4O3+ MolecularWeight: 477.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C28H36N4O3/c1-21-9-11-22(12-10-21)19-29-27(34)24-7-3-4-8-25(24)30-26(33)20-31-17-13-23(14-18-31)28(35)32-15-5-2-6-16-32/h3-4,7-12,23H,2,5-6,13-20H2,1H3,(H,29,34)(H,30,33)/p+1