2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O2/c1-17-22(19-8-4-5-9-20(19)24-17)21(27)16-25-14-10-18(11-15-25)23(28)26-12-6-2-3-7-13-26/h4-5,8-9,18,24H,2-3,6-7,10-16H2,1H3/p+1