4-[(S)-(4-tert-butylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium

Systemtic Name: 4-[(S)-(4-tert-butylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Openeye Name: 4-[(S)-(4-tert-butylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium CAS Name: 4-[(S)-(4-tert-butylphenyl)-(1-pyrrolidin-1-iumyl)methyl]piperidin-1-ium IUPAC Name: 4-[(S)-(4-tert-butylphenyl)-pyrrolidin-1-ium-1-ylmethyl]piperidin-1-ium Traditional Name: 4-[(S)-(4-tert-butylphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2/c1-20(2,3)18-8-6-16(7-9-18)19(22-14-4-5-15-22)17-10-12-21-13-11-17/h6-9,17,19,21H,4-5,10-15H2,1-3H3/p+2/t19-/m1/s1