2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanyl-ethanamide hydrochloride

Systemtic Name: 2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanyl-ethanamide hydrochloride Openeye Name: 2-[1-(2-amino-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-hydroxy-acetamide hydrochloride CAS Name: 2-[1-(2-amino-1-oxo-3-phenylpropyl)-1-pyrrolidin-1-iumyl]-N-cyclohexyl-2-hydroxyacetamide hydrochloride IUPAC Name: 2-[1-(2-amino-3-phenylpropanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-hydroxyacetamide hydrochloride Traditional Name: N-cyclohexyl-2-hydroxy-2-(1-phenylalanylpyrrolidin-1-ium-1-yl)acetamide hydrochloride Formula: C21H33ClN3O3+ MolecularWeight: 410.95802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)N)O.Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)N)O.Cl

InChI

InChI=1S/C21H31N3O3.ClH/c22-18(15-16-9-3-1-4-10-16)20(26)24(13-7-8-14-24)21(27)19(25)23-17-11-5-2-6-12-17;/h1,3-4,9-10,17-18,21,27H,2,5-8,11-15,22H2;1H/p+1