N'-(3-acetamidophenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-acetamidophenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H30N4O3/c1-15(26)23-17-5-4-6-18(13-17)24-21(28)20(27)22-14-16-9-11-25(12-10-16)19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14H2,1H3,(H,22,27)(H,23,26)(H,24,28)/p+1