[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

Systemtic Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Openeye Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-methyl-[(1S)-tetralin-1-yl]ammonium CAS Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ammonium IUPAC Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-methyl-[(1S)-tetralin-1-yl]ammonium Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)C4CCCC5=CC=CC=C45

Isomeric SMILES

C[NH+](CC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)[C@H]4CCCC5=CC=CC=C45

InChI

InChI=1S/C25H29N3OS/c1-27(22-11-6-8-18-7-2-3-9-20(18)22)17-24(29)28-15-13-19(14-16-28)25-26-21-10-4-5-12-23(21)30-25/h2-5,7,9-10,12,19,22H,6,8,11,13-17H2,1H3/p+1/t22-/m0/s1