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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(4-hydroxybenzyl)piperidin-1-ium-3-ol Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC=C(C=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C18H28N2O2/c21-16-7-5-15(6-8-16)13-19-12-9-17(18(22)14-19)20-10-3-1-2-4-11-20/h5-8,17-18,21-22H,1-4,9-14H2/p+2/t17-,18-/m1/s1