[1-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C31H32N3OS+ MolecularWeight: 494.67028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCC(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCC(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O

InChI

InChI=1S/C31H31N3OS/c1-23-14-15-28-29(21-23)36-30(32-28)34-18-8-13-27(34)22-33-19-16-26(17-20-33)31(35,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-15,18,21,26,35H,16-17,19-20,22H2,1H3/p+1