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

Systemtic Name: 1-(8-azanyl-3-propyl-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-3-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(8-amino-3-propyl-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-3-yl)-2-(2-thienyl)ethanone CAS Name: 1-(8-amino-3-propyl-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-3-yl)-2-thiophen-2-ylethanone IUPAC Name: 1-(8-amino-3-propyl-6,7,8,9-tetrahydrobenzo[e]indol-3-ium-3-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(8-amino-3-propyl-6,7,8,9-tetrahydrobenz[e]indol-3-ium-3-yl)-2-(2-thienyl)ethanone Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=CC2=C1C=CC3=C2CC(CC3)N)C(=O)CC4=CC=CS4

Isomeric SMILES

CCC[N+]1(C=CC2=C1C=CC3=C2CC(CC3)N)C(=O)CC4=CC=CS4

InChI

InChI=1S/C21H25N2OS/c1-2-10-23(21(24)14-17-4-3-12-25-17)11-9-18-19-13-16(22)7-5-15(19)6-8-20(18)23/h3-4,6,8-9,11-12,16H,2,5,7,10,13-14,22H2,1H3/q+1