3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-8-amine

Systemtic Name: 3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-8-amine Openeye Name: 3-propyl-3-[2-(2-thienyl)ethyl]-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-8-amine CAS Name: 3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-8-amine IUPAC Name: 3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-8-amine Traditional Name: [3-propyl-3-[2-(2-thienyl)ethyl]-6,7,8,9-tetrahydrobenz[e]indol-3-ium-8-yl]amine Formula: C21H27N2S+ MolecularWeight: 339.51748

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=CC2=C1C=CC3=C2CC(CC3)N)CCC4=CC=CS4

Isomeric SMILES

CCC[N+]1(C=CC2=C1C=CC3=C2CC(CC3)N)CCC4=CC=CS4

InChI

InChI=1S/C21H27N2S/c1-2-11-23(12-9-18-4-3-14-24-18)13-10-19-20-15-17(22)7-5-16(20)6-8-21(19)23/h3-4,6,8,10,13-14,17H,2,5,7,9,11-12,15,22H2,1H3/q+1