(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(4-isopropylphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(4-propan-2-ylphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-3-yl]-p-cumenyl-amine Formula: C20H32N4+2 MolecularWeight: 328.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC[N+]1=C(NC=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H30N4/c1-4-24-13-11-21-20(24)15-23-12-5-6-19(14-23)22-18-9-7-17(8-10-18)16(2)3/h7-11,13,16,19,22H,4-6,12,14-15H2,1-3H3/p+2/t19-/m0/s1