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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-34-25-14-8-7-13-24(25)31-17-15-30(16-18-31)20-26(32)29-23-12-6-5-11-22(23)27(33)28-19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3,(H,28,33)(H,29,32)/p+1