(Z)-but-2-enedioic acid; 1-(3,4-dihydro-2H-thiochromen-4-yl)-N-propyl-piperidin-4-amine

Systemtic Name: (Z)-but-2-enedioic acid; 1-(3,4-dihydro-2H-thiochromen-4-yl)-N-propyl-piperidin-4-amine Openeye Name: maleic acid; N-propyl-1-thiochroman-4-yl-piperidin-4-amine CAS Name: (Z)-2-butenedioic acid; 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-propyl-4-piperidinamine IUPAC Name: (Z)-but-2-enedioic acid; 1-(3,4-dihydro-2H-thiochromen-4-yl)-N-propylpiperidin-4-amine Traditional Name: maleic acid; propyl-(1-thiochroman-4-yl-4-piperidyl)amine Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCN(CC1)C2CCSC3=CC=CC=C23.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNC1CCN(CC1)C2CCSC3=CC=CC=C23.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H26N2S.C4H4O4/c1-2-10-18-14-7-11-19(12-8-14)16-9-13-20-17-6-4-3-5-15(16)17;5-3(6)1-2-4(7)8/h3-6,14,16,18H,2,7-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-