2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C27H38N3O2+ MolecularWeight: 436.60952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O2/c1-21-18-25(22(2)30(21)19-23-10-6-5-7-11-23)26(31)20-28-16-12-24(13-17-28)27(32)29-14-8-3-4-9-15-29/h5-7,10-11,18,24H,3-4,8-9,12-17,19-20H2,1-2H3/p+1