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

Systemtic Name: 2-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N5O2/c25-15-18-5-7-19(8-6-18)16-28-11-13-29(14-12-28)17-23(30)27-22-4-2-1-3-21(22)24(31)26-20-9-10-20/h1-8,20H,9-14,16-17H2,(H,26,31)(H,27,30)/p+1