N-[(4-methoxyphenyl)carbamoyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)carbamoyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: N-[(4-methoxyanilino)-oxomethyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-29-20-10-8-19(9-11-20)23-22(28)24-21(27)17-26-13-5-12-25(14-15-26)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3,(H2,23,24,27,28)/p+1