4-[(S)-(3,4-dimethylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium

Systemtic Name: 4-[(S)-(3,4-dimethylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Openeye Name: 4-[(S)-(3,4-dimethylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium CAS Name: 4-[(S)-(3,4-dimethylphenyl)-(1-pyrrolidin-1-iumyl)methyl]piperidin-1-ium IUPAC Name: 4-[(S)-(3,4-dimethylphenyl)-pyrrolidin-1-ium-1-ylmethyl]piperidin-1-ium Traditional Name: 4-[(S)-(3,4-dimethylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2CC[NH2+]CC2)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C2CC[NH2+]CC2)[NH+]3CCCC3)C

InChI

InChI=1S/C18H28N2/c1-14-5-6-17(13-15(14)2)18(20-11-3-4-12-20)16-7-9-19-10-8-16/h5-6,13,16,18-19H,3-4,7-12H2,1-2H3/p+2/t18-/m0/s1