(3R,4R)-4-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-ol Formula: C19H30N2O3+2 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C19H28N2O3/c22-17-13-20(11-8-16(17)21-9-3-1-2-4-10-21)12-15-6-5-7-18-19(15)24-14-23-18/h5-7,16-17,22H,1-4,8-14H2/p+2/t16-,17-/m1/s1