2-dimethylaminoethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-dimethylaminoethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-dimethylaminoethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium Formula: C24H29N4S+ MolecularWeight: 405.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](CCN(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+](CCN(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4S/c1-19-11-12-22-23(16-19)29-24(25-22)28-13-7-10-21(28)18-27(15-14-26(2)3)17-20-8-5-4-6-9-20/h4-13,16H,14-15,17-18H2,1-3H3/p+1