N-butyl-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-amine

Systemtic Name: N-butyl-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-amine Openeye Name: N-butyl-7,8-dimethyl-3-(2-thienylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-amine CAS Name: N-butyl-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-amine IUPAC Name: N-butyl-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-amine Traditional Name: butyl-[7,8-dimethyl-3-(2-thenyl)-4H-[1,3]thiazino[6,5-b]quinolin-3-ium-2-yl]amine Formula: C22H26N3S2+ MolecularWeight: 396.59194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](CC2=C(S1)N=C3C=C(C(=CC3=C2)C)C)CC4=CC=CS4

Isomeric SMILES

CCCCNC1=[N+](CC2=C(S1)N=C3C=C(C(=CC3=C2)C)C)CC4=CC=CS4

InChI

InChI=1S/C22H25N3S2/c1-4-5-8-23-22-25(14-19-7-6-9-26-19)13-18-12-17-10-15(2)16(3)11-20(17)24-21(18)27-22/h6-7,9-12H,4-5,8,13-14H2,1-3H3/p+1