1-(azepan-1-yl)-2-[4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone CAS Name: 2-[4-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-azepanyl)ethanone IUPAC Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-1-(azepan-1-yl)ethanone Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O3/c1-15-19(17(3)26)16(2)22-20(15)21(28)25-12-10-23(11-13-25)14-18(27)24-8-6-4-5-7-9-24/h22H,4-14H2,1-3H3/p+1