[(3S)-3-(4-methylpiperidin-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S)-3-(4-methylpiperidin-1-yl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S)-1-benzyl-3-(4-methyl-1-piperidyl)pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S)-3-(4-methyl-1-piperidinyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S)-1-benzyl-3-(4-methylpiperidin-1-yl)pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S)-1-benzyl-3-(4-methylpiperidino)pyrrolidin-1-ium-3-yl]methylammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

Isomeric SMILES

CC1CCN(CC1)[C@@]2(CC[NH+](C2)CC3=CC=CC=C3)C[NH3+]

InChI

InChI=1S/C18H29N3/c1-16-7-10-21(11-8-16)18(14-19)9-12-20(15-18)13-17-5-3-2-4-6-17/h2-6,16H,7-15,19H2,1H3/p+2/t18-/m0/s1