2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C28H30N5O3+ MolecularWeight: 484.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H29N5O3/c1-36-24-12-10-23(11-13-24)30-28(35)25-4-2-3-5-26(25)31-27(34)20-33-16-14-32(15-17-33)19-22-8-6-21(18-29)7-9-22/h2-13H,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/p+1