(3S)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide Openeye Name: (3S)-3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide CAS Name: (3S)-3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C21H32N4O2/c1-16(2)18-7-5-17(6-8-18)14-23-10-12-24(13-11-23)20(26)19-4-3-9-25(15-19)21(22)27/h5-8,16,19H,3-4,9-15H2,1-2H3,(H2,22,27)/p+1/t19-/m0/s1