4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one chloride

Systemtic Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one chloride Openeye Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one chloride CAS Name: 4-(1H-indol-3-yl)-1-(1-piperazin-4-iumyl)-1-butanone chloride IUPAC Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-ylbutan-1-one chloride Traditional Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one chloride Formula: C16H22ClN3O MolecularWeight: 307.81838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCC2=CNC3=CC=CC=C32.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCC2=CNC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C16H21N3O.ClH/c20-16(19-10-8-17-9-11-19)7-3-4-13-12-18-15-6-2-1-5-14(13)15;/h1-2,5-6,12,17-18H,3-4,7-11H2;1H