(1-ethoxycarbonylpiperidin-4-yl)-[[3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (1-ethoxycarbonylpiperidin-4-yl)-[[3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-ethoxycarbonyl-4-piperidyl)-[[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (1-ethoxycarbonyl-4-piperidinyl)-[[4-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (1-ethoxycarbonylpiperidin-4-yl)-[[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H39N3O5+2 MolecularWeight: 437.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C23H37N3O5/c1-3-30-23(28)26-12-8-19(9-13-26)24-15-18-6-7-21(22(14-18)29-2)31-17-20(27)16-25-10-4-5-11-25/h6-7,14,19-20,24,27H,3-5,8-13,15-17H2,1-2H3/p+2/t20-/m0/s1