[(E)-2-methylbut-2-enyl]-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium

Systemtic Name: [(E)-2-methylbut-2-enyl]-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium Openeye Name: [(E)-2-methylbut-2-enyl]-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: [(E)-2-methylbut-2-enyl]-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: [(E)-2-methylbut-2-enyl]-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: [(E)-2-methylbut-2-enyl]-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+](CCC1=CC=CC=C1)CC2CCC[NH+](C2)C

Isomeric SMILES

C/C=C(\C)/C[NH+](CCC1=CC=CC=C1)C[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C20H32N2/c1-4-18(2)15-22(14-12-19-9-6-5-7-10-19)17-20-11-8-13-21(3)16-20/h4-7,9-10,20H,8,11-17H2,1-3H3/p+2/b18-4+/t20-/m0/s1