(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-naphthylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-methyl-1-piperazin-4-iumyl)-1-(2-naphthalenylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-naphthylmethyl)piperidin-1-ium-3-ol Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H29N3O/c1-22-10-12-24(13-11-22)20-8-9-23(16-21(20)25)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,14,20-21,25H,8-13,15-16H2,1H3/p+2/t20-,21-/m1/s1