N-[1-ethyl-2-[(Z)-(3-pentyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-yl]ethanamide

Systemtic Name: N-[1-ethyl-2-[(Z)-(3-pentyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-yl]ethanamide Openeye Name: N-[1-ethyl-2-[(Z)-(3-pentyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-yl]acetamide CAS Name: N-[1-ethyl-2-[(Z)-(3-pentyl-1,3-benzothiazol-2-ylidene)methyl]-6-quinolin-1-iumyl]acetamide IUPAC Name: N-[1-ethyl-2-[(Z)-(3-pentyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-6-yl]acetamide Traditional Name: N-[2-[(Z)-(3-amyl-1,3-benzothiazol-2-ylidene)methyl]-1-ethyl-quinolin-1-ium-6-yl]acetamide Formula: C26H30N3OS+ MolecularWeight: 432.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)NC(=O)C)CC

Isomeric SMILES

CCCCCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)NC(=O)C)CC

InChI

InChI=1S/C26H29N3OS/c1-4-6-9-16-29-24-10-7-8-11-25(24)31-26(29)18-22-14-12-20-17-21(27-19(3)30)13-15-23(20)28(22)5-2/h7-8,10-15,17-18H,4-6,9,16H2,1-3H3/p+1