(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(cyclopentylamino)-oxomethyl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC3CCCC3)C

InChI

InChI=1S/C21H32N4O2/c1-15-7-6-10-19(16(15)2)25-13-11-24(12-14-25)17(3)20(26)23-21(27)22-18-8-4-5-9-18/h6-7,10,17-18H,4-5,8-9,11-14H2,1-3H3,(H2,22,23,26,27)/p+1/t17-/m1/s1