methyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-methyl-ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-13-8-9-15-16(10-13)23-18(19-15)20-17(22)12-21(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,20,22)/p+1