(3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one

Systemtic Name: (3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one Openeye Name: (3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one CAS Name: (3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-phenyl-1-butanone IUPAC Name: (3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenylbutan-1-one Traditional Name: (3R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-17(18-7-3-2-4-8-18)15-22(26)25-13-11-24(12-14-25)16-21-23-19-9-5-6-10-20(19)27-21/h2-10,17H,11-16H2,1H3/p+1/t17-/m1/s1