N-(cyclopentylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)CC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H32N4O2/c1-17-7-2-3-8-18(17)15-24-11-6-12-25(14-13-24)16-20(26)23-21(27)22-19-9-4-5-10-19/h2-3,7-8,19H,4-6,9-16H2,1H3,(H2,22,23,26,27)/p+1