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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-4-[1-(1-piperidin-1-iumylmethyl)-3-indolyl]-1-butanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Formula: C23H36N4O+2 MolecularWeight: 384.55814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCC4

InChI

InChI=1S/C23H34N4O/c1-24-14-16-26(17-15-24)23(28)11-7-8-20-18-27(19-25-12-5-2-6-13-25)22-10-4-3-9-21(20)22/h3-4,9-10,18H,2,5-8,11-17,19H2,1H3/p+2