N-cyclopropyl-3-[(3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[(3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-cyclopropyl-3-[(3S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-cyclopropyl-3-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-cyclopropyl-3-[(3S)-1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]propionamide Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)NC3CC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@H](C2)CCC(=O)NC3CC3)O

InChI

InChI=1S/C19H28N2O3/c1-24-18-8-4-15(11-17(18)22)13-21-10-2-3-14(12-21)5-9-19(23)20-16-6-7-16/h4,8,11,14,16,22H,2-3,5-7,9-10,12-13H2,1H3,(H,20,23)/p+1/t14-/m0/s1