2-butyl-1-oxidanidyl-3-piperazin-1-yl-1H-indol-1-ium

Systemtic Name: 2-butyl-1-oxidanidyl-3-piperazin-1-yl-1H-indol-1-ium Openeye Name: 2-butyl-1-oxido-3-piperazin-1-yl-1H-indol-1-ium CAS Name: 2-butyl-1-oxido-3-(1-piperazinyl)-1H-indol-1-ium IUPAC Name: 2-butyl-1-oxido-3-piperazin-1-yl-1H-indol-1-ium Traditional Name: 2-butyl-1-oxido-3-piperazino-1H-indol-1-ium Formula: C16H23N3O MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2[NH+]1[O-])N3CCNCC3

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2[NH+]1[O-])N3CCNCC3

InChI

InChI=1S/C16H23N3O/c1-2-3-7-15-16(18-11-9-17-10-12-18)13-6-4-5-8-14(13)19(15)20/h4-6,8,17,19H,2-3,7,9-12H2,1H3