[(3R)-5-oxidanylidene-1-propyl-pyrrolidin-3-yl]-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]azanium

Systemtic Name: [(3R)-5-oxidanylidene-1-propyl-pyrrolidin-3-yl]-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Openeye Name: [(3R)-5-oxo-1-propyl-pyrrolidin-3-yl]-[1-(4-pyrazol-1-ylphenyl)-4-piperidyl]ammonium CAS Name: [(3R)-5-oxo-1-propyl-3-pyrrolidinyl]-[1-[4-(1-pyrazolyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: [(3R)-5-oxo-1-propylpyrrolidin-3-yl]-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]azanium Traditional Name: [(3R)-5-keto-1-propyl-pyrrolidin-3-yl]-[1-(4-pyrazol-1-ylphenyl)-4-piperidyl]ammonium Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(CC1=O)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCCN1C[C@@H](CC1=O)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H29N5O/c1-2-11-25-16-18(15-21(25)27)23-17-8-13-24(14-9-17)19-4-6-20(7-5-19)26-12-3-10-22-26/h3-7,10,12,17-18,23H,2,8-9,11,13-16H2,1H3/p+1/t18-/m1/s1