3-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(azepane-1-carbonyl)-1-[(1S)-1-methylpropyl]-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 3-(azepane-1-carbonyl)-1-[(2S)-butan-2-yl]-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one Traditional Name: 3-(azepane-1-carbonyl)-1-[(1S)-1-methylpropyl]-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]-4-pyridone Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)N4CCCCCC4

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-3-20(2)30-18-22(25(32)28-10-6-4-5-7-11-28)24(31)23(19-30)26(33)29-14-12-27(13-15-29)17-21-9-8-16-34-21/h8-9,16,18-20H,3-7,10-15,17H2,1-2H3/p+1/t20-/m0/s1