1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-4-(1H-indol-3-yl)butan-1-one Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H34N4O2/c29-23(11-7-8-20-18-25-22-10-4-3-9-21(20)22)28-16-14-26(15-17-28)19-24(30)27-12-5-1-2-6-13-27/h3-4,9-10,18,25H,1-2,5-8,11-17,19H2/p+1