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

Systemtic Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/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/p+1