(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-chloranyl-4-ethoxy-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-chloranyl-4-ethoxy-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-chloro-4-ethoxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-chloro-4-ethoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-chloro-4-ethoxy-benzyl)piperidin-1-ium-3-ol Formula: C20H33ClN2O2+2 MolecularWeight: 368.94122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3)Cl

InChI

InChI=1S/C20H31ClN2O2/c1-2-25-20-8-7-16(13-17(20)21)14-22-12-9-18(19(24)15-22)23-10-5-3-4-6-11-23/h7-8,13,18-19,24H,2-6,9-12,14-15H2,1H3/p+2/t18-,19-/m1/s1