(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-methoxy-1-naphthalenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-ol Formula: C23H34N2O2+2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C23H32N2O2/c1-27-23-11-10-18-8-4-5-9-19(18)20(23)16-24-15-12-21(22(26)17-24)25-13-6-2-3-7-14-25/h4-5,8-11,21-22,26H,2-3,6-7,12-17H2,1H3/p+2/t21-,22-/m1/s1