[(3R)-3-[(2S)-2-methylpiperidin-1-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-3-[(2S)-2-methylpiperidin-1-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-benzyl-3-[(2S)-2-methyl-1-piperidyl]pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-3-[(2S)-2-methyl-1-piperidinyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-benzyl-3-[(2S)-2-methylpiperidin-1-yl]pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-benzyl-3-[(2S)-2-methylpiperidino]pyrrolidin-1-ium-3-yl]methylammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

Isomeric SMILES

C[C@H]1CCCCN1[C@]2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C18H29N3/c1-16-7-5-6-11-21(16)18(14-19)10-12-20(15-18)13-17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15,19H2,1H3/p+2/t16-,18+/m0/s1