4-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)aniline

Systemtic Name: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)aniline Openeye Name: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)aniline CAS Name: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-(4-pyridin-1-iumylmethyl)aniline IUPAC Name: 4-(5-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)aniline Traditional Name: [4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-(pyridin-1-ium-4-ylmethyl)amine Formula: C20H18N3S+ MolecularWeight: 332.44202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NCC4=CC=[NH+]C=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NCC4=CC=[NH+]C=C4

InChI

InChI=1S/C20H17N3S/c1-14-2-7-19-18(12-14)23-20(24-19)16-3-5-17(6-4-16)22-13-15-8-10-21-11-9-15/h2-12,22H,13H2,1H3/p+1