(2R)-N-cycloheptyl-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cycloheptyl-2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cycloheptyl-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-(4-cumoylpiperazin-1-ium-1-yl)-N-cycloheptyl-propionamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H37N3O2/c1-18(2)20-10-12-21(13-11-20)24(29)27-16-14-26(15-17-27)19(3)23(28)25-22-8-6-4-5-7-9-22/h10-13,18-19,22H,4-9,14-17H2,1-3H3,(H,25,28)/p+1/t19-/m1/s1