1,3-benzothiazol-2-ylmethyl-[1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]ammonium Formula: C29H31N4OS+ MolecularWeight: 483.64764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H30N4OS/c34-29(33-16-13-21-5-1-2-6-23(21)20-33)22-9-11-25(12-10-22)32-17-14-24(15-18-32)30-19-28-31-26-7-3-4-8-27(26)35-28/h1-12,24,30H,13-20H2/p+1