N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C20H22N3S+ MolecularWeight: 336.47378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=[NH+]CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=[NH+]CCCCC4

InChI

InChI=1S/C20H21N3S/c1-14-6-11-17-18(13-14)24-20(23-17)15-7-9-16(10-8-15)22-19-5-3-2-4-12-21-19/h6-11,13H,2-5,12H2,1H3,(H,21,22)/p+1