5-bromanyl-1-butyl-3-(1-methylpiperidin-4-yl)sulfanyl-indole

Systemtic Name: 5-bromanyl-1-butyl-3-(1-methylpiperidin-4-yl)sulfanyl-indole Openeye Name: 5-bromo-1-butyl-3-[(1-methyl-4-piperidyl)sulfanyl]indole CAS Name: 5-bromo-1-butyl-3-[(1-methyl-4-piperidinyl)thio]indole IUPAC Name: 5-bromo-1-butyl-3-(1-methylpiperidin-4-yl)sulfanylindole Traditional Name: 5-bromo-1-butyl-3-[(1-methyl-4-piperidyl)thio]indole Formula: C18H25BrN2S MolecularWeight: 381.3735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)Br)SC3CCN(CC3)C

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)Br)SC3CCN(CC3)C

InChI

InChI=1S/C18H25BrN2S/c1-3-4-9-21-13-18(16-12-14(19)5-6-17(16)21)22-15-7-10-20(2)11-8-15/h5-6,12-13,15H,3-4,7-11H2,1-2H3