[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N4OS/c1-15(2)26-16(3)13-18(17(26)4)22(27)25-11-9-24(10-12-25)14-21-23-19-7-5-6-8-20(19)28-21/h5-8,13,15H,9-12,14H2,1-4H3/p+1