8-azanyl-3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-1-carbaldehyde

Systemtic Name: 8-azanyl-3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-1-carbaldehyde Openeye Name: 8-amino-3-propyl-3-[2-(2-thienyl)ethyl]-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-1-carbaldehyde CAS Name: 8-amino-3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-1-carboxaldehyde IUPAC Name: 8-amino-3-propyl-3-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-1-carbaldehyde Traditional Name: 8-amino-3-propyl-3-[2-(2-thienyl)ethyl]-6,7,8,9-tetrahydrobenz[e]indol-3-ium-1-carbaldehyde Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C2=C1C=CC3=C2CC(CC3)N)C=O)CCC4=CC=CS4

Isomeric SMILES

CCC[N+]1(C=C(C2=C1C=CC3=C2CC(CC3)N)C=O)CCC4=CC=CS4

InChI

InChI=1S/C22H27N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)14-17(15-25)22-20-13-18(23)7-5-16(20)6-8-21(22)24/h3-4,6,8,12,14-15,18H,2,5,7,9-11,13,23H2,1H3/q+1