ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(2-pyrrolidin-1-ylphenyl)carbonylpiperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(2-pyrrolidin-1-ylphenyl)carbonylpiperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(2-pyrrolidin-1-ylbenzoyl)-3-piperidyl]ammonium CAS Name: ethyl-[(3S)-1-[oxo-[2-(1-pyrrolidinyl)phenyl]methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(2-pyrrolidinobenzoyl)-3-piperidyl]ammonium Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C24H32N4O/c1-2-26(18-20-11-13-25-14-12-20)21-8-7-17-28(19-21)24(29)22-9-3-4-10-23(22)27-15-5-6-16-27/h3-4,9-14,21H,2,5-8,15-19H2,1H3/p+1/t21-/m0/s1