(3S)-N-ethyl-1-[(4-ethynylphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-ethyl-1-[(4-ethynylphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-ethyl-1-[(4-ethynylphenyl)methyl]-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-ethyl-1-[(4-ethynylphenyl)methyl]-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-ethyl-1-[(4-ethynylphenyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: ethyl-[(3S)-1-(4-ethynylbenzyl)piperidin-1-ium-3-yl]-(4-pyridylmethyl)amine Formula: C22H28N3+ MolecularWeight: 334.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)C#C

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)C#C

InChI

InChI=1S/C22H27N3/c1-3-19-7-9-20(10-8-19)16-24-15-5-6-22(18-24)25(4-2)17-21-11-13-23-14-12-21/h1,7-14,22H,4-6,15-18H2,2H3/p+1/t22-/m0/s1