4-[(S)-(4-propan-2-ylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium

Systemtic Name: 4-[(S)-(4-propan-2-ylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Openeye Name: 4-[(S)-(4-isopropylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium CAS Name: 4-[(S)-(4-propan-2-ylphenyl)-(1-pyrrolidin-1-iumyl)methyl]piperidin-1-ium IUPAC Name: 4-[(S)-(4-propan-2-ylphenyl)-pyrrolidin-1-ium-1-ylmethyl]piperidin-1-ium Traditional Name: 4-[(S)-p-cumenyl(pyrrolidin-1-ium-1-yl)methyl]piperidin-1-ium Formula: C19H32N2+2 MolecularWeight: 288.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2/c1-15(2)16-5-7-17(8-6-16)19(21-13-3-4-14-21)18-9-11-20-12-10-18/h5-8,15,18-20H,3-4,9-14H2,1-2H3/p+2/t19-/m1/s1