(2S)-2-(3-phenylpropyl)-4-(thian-4-yl)morpholin-4-ium

Systemtic Name: (2S)-2-(3-phenylpropyl)-4-(thian-4-yl)morpholin-4-ium Openeye Name: (2S)-2-(3-phenylpropyl)-4-tetrahydrothiopyran-4-yl-morpholin-4-ium CAS Name: (2S)-2-(3-phenylpropyl)-4-(4-thianyl)morpholin-4-ium IUPAC Name: (2S)-2-(3-phenylpropyl)-4-(thian-4-yl)morpholin-4-ium Traditional Name: (2S)-2-(3-phenylpropyl)-4-tetrahydrothiopyran-4-yl-morpholin-4-ium Formula: C18H28NOS+ MolecularWeight: 306.48602

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCOC(C2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CSCCC1[NH+]2CCO[C@H](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H27NOS/c1-2-5-16(6-3-1)7-4-8-18-15-19(11-12-20-18)17-9-13-21-14-10-17/h1-3,5-6,17-18H,4,7-15H2/p+1/t18-/m0/s1