ethyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S/c1-2-29-22(28)23-17-9-7-16(8-10-17)21(27)26-13-11-25(12-14-26)15-20-24-18-5-3-4-6-19(18)30-20/h3-10H,2,11-15H2,1H3,(H,23,28)/p+1