N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1S)-2-methyl-1-(4-propylphenyl)propyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(1S)-2-methyl-1-(4-propylphenyl)propyl]-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C(C)C)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H31N3O3S/c1-4-5-18-6-8-19(9-7-18)22(17(2)3)24-21-11-10-20(16-23-21)29(26,27)25-12-14-28-15-13-25/h6-11,16-17,22H,4-5,12-15H2,1-3H3,(H,23,24)/p+1/t22-/m0/s1