4-(dimethylamino)-N-[2-(4-hexadecylmorpholin-4-ium-4-yl)ethyl]benzamide; 4-methylbenzenesulfonate

Systemtic Name: 4-(dimethylamino)-N-[2-(4-hexadecylmorpholin-4-ium-4-yl)ethyl]benzamide; 4-methylbenzenesulfonate Openeye Name: 4-(dimethylamino)-N-[2-(4-hexadecylmorpholin-4-ium-4-yl)ethyl]benzamide; 4-methylbenzenesulfonate CAS Name: 4-(dimethylamino)-N-[2-(4-hexadecyl-4-morpholin-4-iumyl)ethyl]benzamide; 4-methylbenzenesulfonate IUPAC Name: 4-(dimethylamino)-N-[2-(4-hexadecylmorpholin-4-ium-4-yl)ethyl]benzamide; 4-methylbenzenesulfonate Traditional Name: N-[2-(4-cetylmorpholin-4-ium-4-yl)ethyl]-4-(dimethylamino)benzamide tosylate Formula: C38H63N3O5S MolecularWeight: 673.98892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CCNC(=O)C2=CC=C(C=C2)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CCNC(=O)C2=CC=C(C=C2)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C31H55N3O2.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-34(25-27-36-28-26-34)24-22-32-31(35)29-18-20-30(21-19-29)33(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h18-21H,4-17,22-28H2,1-3H3;2-5H,1H3,(H,8,9,10)