[1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCC(CC3)CO)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC(CC3)CO)OC

InChI

InChI=1S/C21H34N2O3/c1-3-26-21-13-18(6-7-20(21)25-2)14-22-10-4-5-19(15-22)23-11-8-17(16-24)9-12-23/h6-7,13,17,19,24H,3-5,8-12,14-16H2,1-2H3/p+1/t19-/m0/s1