2-[(E)-2-[4-(4-heptylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-[4-(4-heptylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium Openeye Name: 3-allyl-2-[(E)-2-[4-(4-heptylpiperazin-1-yl)phenyl]vinyl]-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[4-(4-heptyl-1-piperazinyl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-[4-(4-heptylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium Traditional Name: 3-allyl-2-[(E)-2-[4-(4-heptylpiperazino)phenyl]vinyl]-1,3-benzothiazol-3-ium Formula: C29H38N3S+ MolecularWeight: 460.69712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C=CC3=[N+](C4=CC=CC=C4S3)CC=C

Isomeric SMILES

CCCCCCCN1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4S3)CC=C

InChI

InChI=1S/C29H38N3S/c1-3-5-6-7-10-20-30-21-23-31(24-22-30)26-16-13-25(14-17-26)15-18-29-32(19-4-2)27-11-8-9-12-28(27)33-29/h4,8-9,11-18H,2-3,5-7,10,19-24H2,1H3/q+1