1-ethyl-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline

Systemtic Name: 1-ethyl-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline Openeye Name: 1-ethyl-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline CAS Name: 1-ethyl-2-methyl-4-(4-thiophen-2-ylhexyl)-1-piperazin-1-iumcarbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline IUPAC Name: 1-ethyl-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-carbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline Traditional Name: 1-ethyl-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-carbonitrile; 1-(sulfinoamino)-3,4-dihydro-2H-quinoline Formula: C27H42N5O2S2+ MolecularWeight: 532.78468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(CC)C#N)C2=CC=CS2.C1CC2=CC=CC=C2N(C1)NS(=O)O

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(CC)C#N)C2=CC=CS2.C1CC2=CC=CC=C2N(C1)NS(=O)O

InChI

InChI=1S/C18H30N3S.C9H12N2O2S/c1-4-17(18-9-7-13-22-18)8-6-10-20-11-12-21(5-2,15-19)16(3)14-20;12-14(13)10-11-7-3-5-8-4-1-2-6-9(8)11/h7,9,13,16-17H,4-6,8,10-12,14H2,1-3H3;1-2,4,6,10H,3,5,7H2,(H,12,13)/q+1;