4-[4-[(E)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]-N-propyl-butan-1-amine

Systemtic Name: 4-[4-[(E)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]-N-propyl-butan-1-amine Openeye Name: 4-[4-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]-N-propyl-butan-1-amine CAS Name: 4-[4-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]-N-propyl-1-butanamine IUPAC Name: 4-[4-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]-N-propylbutan-1-amine Traditional Name: 4-[4-[(E)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl-propyl-amine Formula: C25H29ClN3S+ MolecularWeight: 439.03586

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCC[N+]1=CC=C(C2=CC=CC=C21)C=C3N(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CCCNCCCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/3\N(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C25H29ClN3S/c1-3-13-27-14-6-7-15-29-16-12-19(21-8-4-5-9-22(21)29)17-25-28(2)23-18-20(26)10-11-24(23)30-25/h4-5,8-12,16-18,27H,3,6-7,13-15H2,1-2H3/q+1