4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: 4-[1-(1-azepan-1-iumylmethyl)-3-indolyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one Formula: C24H38N4O+2 MolecularWeight: 398.58472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H36N4O/c1-25-15-17-27(18-16-25)24(29)12-8-9-21-19-28(23-11-5-4-10-22(21)23)20-26-13-6-2-3-7-14-26/h4-5,10-11,19H,2-3,6-9,12-18,20H2,1H3/p+2