2-[1-[3-(2-ethoxyethylamino)pyridin-4-yl]-4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[3-(2-ethoxyethylamino)pyridin-4-yl]-4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-benzyl-1-[3-(2-ethoxyethylamino)-4-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(2-ethoxyethylamino)-4-pyridinyl]-4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-benzyl-1-[3-(2-ethoxyethylamino)pyridin-4-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-benzyl-1-[3-(2-ethoxyethylamino)-4-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=C(C=CN=C1)[N+]2(CCN(CC2)CC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCOCCNC1=C(C=CN=C1)[N+]2(CCN(CC2)CC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C22H31N5O2/c1-2-29-15-10-25-20-16-24-9-8-21(20)27(18-22(23)28)13-11-26(12-14-27)17-19-6-4-3-5-7-19/h3-9,16,25H,2,10-15,17-18H2,1H3,(H-,23,28)/p+1