ethyl-[(3S)-1-(3-methoxycarbonylphenyl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(3-methoxycarbonylphenyl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(3-methoxycarbonylbenzoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(3-methoxycarbonylphenyl)-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(3-methoxycarbonylbenzoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(3-carbomethoxybenzoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-3-24(15-17-9-11-23-12-10-17)20-8-5-13-25(16-20)21(26)18-6-4-7-19(14-18)22(27)28-2/h4,6-7,9-12,14,20H,3,5,8,13,15-16H2,1-2H3/p+1/t20-/m0/s1