N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(1,2-oxazinan-2-yl)propanamide

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(1,2-oxazinan-2-yl)propanamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(oxazinan-2-yl)propanamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-3-(2-oxazinanyl)propanamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3-(oxazinan-2-yl)propanamide Traditional Name: N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-3-(oxazinan-2-yl)propionamide Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)CCN3CCCCO3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)CCN3CCCCO3

InChI

InChI=1S/C20H31N3O3/c1-25-19-8-4-6-17(14-19)15-22-10-5-7-18(16-22)21-20(24)9-12-23-11-2-3-13-26-23/h4,6,8,14,18H,2-3,5,7,9-13,15-16H2,1H3,(H,21,24)/p+1/t18-/m0/s1