4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]butyramide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21(11-6-12-22-24-19-9-4-5-10-20(19)27-22)23-18-13-14-25(16-18)15-17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,26)/p+1/t18-/m0/s1