ethyl-[(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(2-methoxy-5-methylanilino)-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C22H30N4O2/c1-4-25(15-18-9-11-23-12-10-18)19-6-5-13-26(16-19)22(27)24-20-14-17(2)7-8-21(20)28-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1