[(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3R)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O/c27-23(25-13-5-2-6-14-25)21-10-7-15-26(19-21)22-11-16-24(17-12-22)18-20-8-3-1-4-9-20/h1,3-4,8-9,21-22H,2,5-7,10-19H2/p+2/t21-/m1/s1