ethyl-[(3S)-1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(2-methoxycarbonylphenyl)carbamoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(2-methoxycarbonylanilino)-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(2-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(2-carbomethoxyphenyl)carbamoyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H28N4O3/c1-3-25(15-17-10-12-23-13-11-17)18-7-6-14-26(16-18)22(28)24-20-9-5-4-8-19(20)21(27)29-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,24,28)/p+1/t18-/m0/s1